(6-bromanyl-1,3-benzodioxol-5-yl)methyl-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl-[2-(3-methoxyanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (6-bromo-1,3-benzodioxol-5-yl)methyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylammonium IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium Traditional Name: (6-bromo-1,3-benzodioxol-5-yl)methyl-[2-keto-2-(m-anisidino)ethyl]-methyl-ammonium Formula: C18H20BrN2O4+ MolecularWeight: 408.2664

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1Br)OCO2)CC(=O)NC3=CC(=CC=C3)OC

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1Br)OCO2)CC(=O)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C18H19BrN2O4/c1-21(9-12-6-16-17(8-15(12)19)25-11-24-16)10-18(22)20-13-4-3-5-14(7-13)23-2/h3-8H,9-11H2,1-2H3,(H,20,22)/p+1